[QE-users] Quantum Espresso with LibXC
Paolo Giannozzi
paolo.giannozzi at uniud.it
Sat Sep 3 22:35:34 CEST 2022
Have you used the same compiler for libxc and for QE?
Paolo
On 03/09/2022 20:51, Johnson, Miles R. wrote:
>
> You don't often get email from mjohnso7 at caltech.edu. Learn why this is
> important <https://aka.ms/LearnAboutSenderIdentification>
>
>
> Hi Takahiro,
>
> I'm using libxc version 5.2.3, downloaded from this website:
> https://tddft.org/programs/libxc/download/
> <https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Ftddft.org%2Fprograms%2Flibxc%2Fdownload%2F&data=05%7C01%7Cpaolo.giannozzi%40uniud.it%7Cb6df6dbd81594cc3afbe08da8ddd7f47%7C6e6ade15296c4224ac581c8ec2fd53a8%7C0%7C0%7C637978280766037967%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=an6P2KuyFFPiaSKmAtRjbRpt8UrPJ8trKGmfIJKDaLw%3D&reserved=0>.
>
> I've attached a picture of the file list.
>
> Thanks!
> Miles
>
> ---Sender---
> Miles Johnson
> Applied Physics PhD candidate, California Institute of Technology
> mjohnso7 at caltech.edu
> Libxc - a library of exchange-correlation functionals for
> density-functional theory - TDDFT
> <https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Ftddft.org%2Fprograms%2Flibxc%2Fdownload%2F&data=05%7C01%7Cpaolo.giannozzi%40uniud.it%7Cb6df6dbd81594cc3afbe08da8ddd7f47%7C6e6ade15296c4224ac581c8ec2fd53a8%7C0%7C0%7C637978280766037967%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=an6P2KuyFFPiaSKmAtRjbRpt8UrPJ8trKGmfIJKDaLw%3D&reserved=0>
> Download Latest release. The sources for the latest stable release can
> be downloaded here: libxc-5.2.3.tar.gz. Development version. You can
> also get Libxc directly ...
> tddft.org
>
>
>
>
>
>
> ------------------------------------------------------------------------
> *From:* users <users-bounces at lists.quantum-espresso.org> on behalf of
> Takahiro Chiba <takahiro_chiba at eis.hokudai.ac.jp>
> *Sent:* Saturday, September 3, 2022 4:46 AM
> *To:* Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
> *Subject:* Re: [QE-users] Quantum Espresso with LibXC
> Hi Miles,
>
> Could you...
> 1. tell us which version of libxc did you use?
> 2. show us the list of files in /home/milesj/LIBXC? ( find
> /home/milesj/LIBXC -type f )
>
>
> P.S.
> You should write your affiliation when you post here!
>
> Sincerely,
> Takahiro
>
> ---Sender---
> Takahiro Chiba
> CSE, Hokkaido University
> takahiro_chiba at eis.hokudai.ac.jp <mailto:takahiro_chiba at eis.hokudai.ac.jp>
> -----
>
>
> On Sat, Sep 3, 2022 at 4:44 AM Johnson, Miles R. <mjohnso7 at caltech.edu
> <mailto:mjohnso7 at caltech.edu>> wrote:
>
> I posted this question on stackoverflow before finding this mailing
> list:
> https://stackoverflow.com/questions/73576250/error-in-quantum-espresso-configuration-with-libxc
> <https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fstackoverflow.com%2Fquestions%2F73576250%2Ferror-in-quantum-espresso-configuration-with-libxc&data=05%7C01%7Cpaolo.giannozzi%40uniud.it%7Cb6df6dbd81594cc3afbe08da8ddd7f47%7C6e6ade15296c4224ac581c8ec2fd53a8%7C0%7C0%7C637978280766037967%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=ZVYynRMB2WODyPfHBi7%2BzHySWB2OdF27i7DI%2BTFZiw8%3D&reserved=0>
>
> Essentially, I've downloaded and seemingly without error installed
> libxc, and I have the most recent distribution of quantum espresso.
> Without the --with-libxc flag it configures just find, but with the
> flag it cannot seem to find my libxc installation no matter where I
> put it. I've tried haphazardly looking through many forums and
> trying various solutions, and nothing has changed anything. No
> matter what I do, either it doesn't find libxc or doesn't look for
> it. When I try adding flags to the make.inc file after normal
> configuration like the documentation says as an alternative, make
> all fails with the error pictured below. I've made zero progress for
> more than a week and I really need help.
>
> Thanks,
> Miles
>
>
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> Error in Quantum Espresso configuration with libxc
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Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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